2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol

C14H23FN2O2 — CID 63058478

IUPAC2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(CNCCOC)cc1F
InChIInChI=1S/C14H23FN2O2/c1-3-17(7-8-18)14-5-4-12(10-13(14)15)11-16-6-9-19-2/h4-5,10,16,18H,3,6-9,11H2,1-2H3
InChIKeyXTLYREIFMGKARA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.38
Rot. Bonds9

About 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol

2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol (PubChem CID 63058478) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
PubChem CID63058478
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(CNCCOC)cc1F
InChIInChI=1S/C14H23FN2O2/c1-3-17(7-8-18)14-5-4-12(10-13(14)15)11-16-6-9-19-2/h4-5,10,16,18H,3,6-9,11H2,1-2H3
InChIKeyXTLYREIFMGKARA-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
CID 60981186
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
1-[[4-(diethylamino)-3-fluorophenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111544467

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol (CID 63058478) is 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol is CCN(CCO)c1ccc(CNCCOC)cc1F.
What is the InChIKey of 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The InChIKey is XTLYREIFMGKARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-3-17(7-8-18)14-5-4-12(10-13(14)15)11-16-6-9-19-2/h4-5,10,16,18H,3,6-9,11H2,1-2H3.
What are the key properties of 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol has a molecular weight of 270.35 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol is sourced from PubChem (CID 63058478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).